4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine

C13H16ClN3O2 — CID 117452223

IUPAC4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine
SMILESCCc1cc(OC)c(OC)c(-c2cn[nH]c2N)c1Cl
InChIInChI=1S/C13H16ClN3O2/c1-4-7-5-9(18-2)12(19-3)10(11(7)14)8-6-16-17-13(8)15/h5-6H,4H2,1-3H3,(H3,15,16,17)
InChIKeySNYWBGDKNZEZMD-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.89
Rot. Bonds4

About 4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine

4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine (PubChem CID 117452223) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine
PubChem CID117452223
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine
SMILESCCc1cc(OC)c(OC)c(-c2cn[nH]c2N)c1Cl
InChIInChI=1S/C13H16ClN3O2/c1-4-7-5-9(18-2)12(19-3)10(11(7)14)8-6-16-17-13(8)15/h5-6H,4H2,1-3H3,(H3,15,16,17)
InChIKeySNYWBGDKNZEZMD-UHFFFAOYSA-N
XLogP2.89
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117422663
4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117452228
2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol
CID 117499099
4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine
CID 117370721
4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117496868
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117387074
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
CID 117412553
4-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1H-pyrazol-5-amine
CID 117496878
5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117496420
4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117407752
3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117397370

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine (CID 117452223) is 4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine is CCc1cc(OC)c(OC)c(-c2cn[nH]c2N)c1Cl.
What is the InChIKey of 4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine?
The InChIKey is SNYWBGDKNZEZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-4-7-5-9(18-2)12(19-3)10(11(7)14)8-6-16-17-13(8)15/h5-6H,4H2,1-3H3,(H3,15,16,17).
What are the key properties of 4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine?
4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine has a molecular weight of 281.74 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117452223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).